Octane

Octane

SCHEMBL10559727

CC(CO)CC(C)(C)CO.CCCCCCCC

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL483930 0.87 TSHR (0.38) TSHR
Dodecanoate SCHEMBL10558096 0.87 GPR84 (0.53) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL8380932 0.81 ALDH1A1 (0.37) LMNATSHRALDH1A1MAPTACE2
SCHEMBL10561387 0.78 USP2 (0.46) LMNATSHRHSD17B10MEN1KMT2A
Octane SCHEMBL21799266 0.77 LMNA (0.53) LMNATSHRALDH1A1HSD17B10MEN1
SCHEMBL8379104 0.76 TSHR (0.50) TSHR
SCHEMBL4234783 0.75 TSHR (0.32) TSHR
SCHEMBL18799800 0.75 TSHR (0.42) TSHR
SCHEMBL3440799 0.75 TSHR (0.42) TSHR
Hexane SCHEMBL11486620 0.74 SMN1; SMN2 (0.50) LMNATSHRALDH1A1HSD17B10MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4808443-A COATING THIN FILM ON WET SURFACE RIGHT AFTER PRINTING SAKATA SHOKAI, LTD. (JP) 1989-02-28 US disclosed